2-(2-benzylanilino)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide

C22H24N2O2 — CID 78822177

IUPAC2-(2-benzylanilino)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)CNc2ccccc2Cc2ccccc2)o1
InChIInChI=1S/C22H24N2O2/c1-17-12-13-20(26-17)16-24(2)22(25)15-23-21-11-7-6-10-19(21)14-18-8-4-3-5-9-18/h3-13,23H,14-16H2,1-2H3
InChIKeyRDQOZYCTJVLZHW-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.25
Rot. Bonds7

About 2-(2-benzylanilino)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide

2-(2-benzylanilino)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 78822177) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(2-benzylanilino)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-benzylanilino)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID78822177
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name2-(2-benzylanilino)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)CNc2ccccc2Cc2ccccc2)o1
InChIInChI=1S/C22H24N2O2/c1-17-12-13-20(26-17)16-24(2)22(25)15-23-21-11-7-6-10-19(21)14-18-8-4-3-5-9-18/h3-13,23H,14-16H2,1-2H3
InChIKeyRDQOZYCTJVLZHW-UHFFFAOYSA-N
XLogP4.25
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 78791590
N-benzyl-N-methyl-2-(2-methylanilino)acetamide
CID 39367191
2-methyl-2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]propanoic acid
CID 65263837
(2R)-2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]propanoic acid
CID 83195169
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 78915164
2-fluoro-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 31151745
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-nitrophenyl)acetamide
CID 4807483
2-[4-(aminomethyl)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 63590309
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 9072725
N-benzyl-2-(2,6-diethylanilino)-N-methylacetamide
CID 108997433
[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 8575019
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylanilino)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-(2-benzylanilino)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 78822177) is 2-(2-benzylanilino)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-benzylanilino)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2-benzylanilino)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide is Cc1ccc(CN(C)C(=O)CNc2ccccc2Cc2ccccc2)o1.
What is the InChIKey of 2-(2-benzylanilino)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is RDQOZYCTJVLZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-17-12-13-20(26-17)16-24(2)22(25)15-23-21-11-7-6-10-19(21)14-18-8-4-3-5-9-18/h3-13,23H,14-16H2,1-2H3.
What are the key properties of 2-(2-benzylanilino)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
2-(2-benzylanilino)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 348.45 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylanilino)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 78822177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).